对苯二甲醛
TL;DR: 对苯二甲醛 (CAS 623-27-8) is a chemical compound with molecular formula C8H6O2 and molecular weight 134.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对苯二甲醛
terephthalaldehyde
Also Known As: TEREPHTHALALDEHYDE, 1,4-Benzenedicarboxaldehyde, Terephthaldehyde, p-Phthalaldehyde, Terephthaladehyde
| Molecular Formula | C8H6O2 |
|---|---|
| Molecular Weight | 134.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 134.03677 |
| Heavy Atoms | 10 |
| Complexity | 107.0 |
| Melting Point | 117 °C |
| Boiling Point | 246 °C |
| Solubility | In water, 200 mg/L at 25 °C |
| Flash Point | 76 °C (76.1 °C) - closed cup |
Chemical Identifiers
| CAS Number | 623-27-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C=O)C=O |
| InChIKey | KUCOHFSKRZZVRO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对苯二甲醛 (CAS 623-27-8), with molecular formula C8H6O2 and molecular weight 134.04 g/mol. IUPAC: terephthalaldehyde.
Chemical Property Profile of 对苯二甲醛
Property Insights of 对苯二甲醛
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 对苯二甲醛. With a topological polar surface area (TPSA) of 34.1 Ų, 对苯二甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对苯二甲醛 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 对苯二甲醛?
The CAS number of 对苯二甲醛 is 623-27-8.
What is the molecular formula of 对苯二甲醛?
The molecular formula of 对苯二甲醛 is C8H6O2.
What is the molecular weight of 对苯二甲醛?
The molecular weight of 对苯二甲醛 is 134.04 g/mol.
Where can I buy 对苯二甲醛?
You can request a quote for 对苯二甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对苯二甲醛?
Yes, KEHONG BIO provides custom synthesis services for 对苯二甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.